Assignment w1 w2 G2H-N 109.53 8.29 A3H-N 121.93 7.81 N4H-N 117.04 8.08 N4HD21-ND2 116.5 7.1 N4HD22-ND2 116.5 7.58 G5H-N 109.59 8.71 Y6H-N 121.93 8.42 K7H-N 128.86 8.92 T8H-N 120.13 8.35 I9H-N 128.35 9.54 D10H-N 128.86 9.3 N11H-N 109.1 8.57 N11HD21-ND2 112.9 6.87 N11HD22-ND2 112.9 7.51 K12H-N 120.4 7.91 N13H-N 119.62 8.69 N13HD21-ND2 115.0 6.49 N13HD22-ND2 115.0 7.87 F14H-N 118.33 8.66 Y15H-N 124.75 10.15 F16H-N 125.01 8.26 R17H-N 120.38 8.66 R17HE-NE 84.23 7.15 N18H-N 126.81 9.41 N18HD21-ND2 112.6 6.9 N18HD22-ND2 112.6 7.6 G19H-N 102.14 9.09 L20H-N 120.64 7.75 Q22H-N 122.44 8.69 Q22HE21-NE2 116.9 6.94 Q22HE22-NE2 116.9 7.17 I23H-N 118.84 8.11 G24H-N 114.22 9.65 V25H-N 121.41 7.47 F26H-N 121.93 8.08 K27H-N 122.95 8.77 G28H-N 114.99 7.64 S29H-N 114.73 6.26 N30H-N 118.59 8.68 N30HD21-ND2 114.5 6.94 N30HD22-ND2 114.5 7.64 G31H-N 104.97 7.28 F32H-N 121.67 9.38 E33H-N 121.67 8.27 Y34H-N 119.87 8.75 F35H-N 129.13 8.82 A36H-N 125.27 7.11 A38H-N 127.58 9.36 N39H-N 113.7 8.72 N39HD21-ND2 111.8 6.79 N39HD22-ND2 111.8 7.51 T40H-N 118.84 9.09 D41H-N 120.64 8.79 A42H-N 127.58 8.76 N43H-N 112.16 8.9 N43HD21-ND2 111.61 6.79 N43HD22-ND2 111.61 7.42 N44H-N 114.47 7.76 N44HD21-ND2 119.7 6.8 N44HD22-ND2 119.7 6.8 I45H-N 120.13 8.13 E46H-N 126.55 8.86 G47H-N 114.99 8.98 Q48H-N 122.44 8.15 Q48HE21-NE2 111.2 7.04 Q48HE22-NE2 111.2 7.3 A49H-N 126.55 8.36 I50H-N 114.73 7.54 R51H-N 121.93 8.05 R51HH21-NH2 71.53 6.67 R51HE-NE 84.79 7.32 Y52H-N 128.61 8.44 Q53H-N 119.87 7.81 N54H-N 122.44 7.25 N54HD21-ND2 114.65 7.28 N54HD22-ND2 114.65 7.52 R55H-N 113.96 7.38 R55HH21-NH2 71.62 6.48 R55HE-NE 85.07 6.61 F56H-N 118.07 8.68 L57H-N 125.52 9.44 H58H-N 126.29 8.75 L59H-N 125.52 8.66 L60H-N 128.35 9.68 G61H-N 104.71 8.59 K62H-N 120.9 7.97 I63H-N 122.7 8.54 Y64H-N 122.95 8.87 Y65H-N 122.18 9.02 F66H-N 127.58 7.44 G67H-N 103.94 7.52 N68H-N 119.61 8.86 N68HD21-ND2 111.8 6.79 N68HD22-ND2 111.8 7.43 N69H-N 114.73 8.16 N69HD21-ND2 111.2 7.04 N69HD22-ND2 111.2 7.64 S70H-N 107.28 7.8 K71H-N 114.73 7.15 A72H-N 127.32 7.8 V73H-N 116.27 8.16 T74H-N 103.94 7.52 G75H-N 109.59 9.42 W76H-N 120.38 8.29 W76HE1-NE1 130.4 10.5 Q77H-N 121.93 9.47 T78H-N 119.61 8.69 I79H-N 128.35 9.54 N80H-N 127.84 9.58 N80HD21-ND2 112.1 7.04 N80HD22-ND2 112.1 7.72 G81H-N 102.14 8.52 K82H-N 121.66 7.76 V83H-N 122.7 8.29 Y84H-N 124.8 9.03 Y85H-N 121.41 9.77 F86H-N 125.27 7.24 M87H-N 125.33 8.63 D89H-N 111.39 8.75 T90H-N 107.54 7.02 A91H-N 119.87 8.35 M92H-N 116.53 7.22 A93H-N 125.27 9.09 A94H-N 126.81 8.37 A95H-N 122.18 6.77 G96H-N 109.85 7.3 G97H-N 106.77 8.21 L98H-N 121.41 8.13 F99H-N 121.93 9.52 E100H-N 124.5 8.77 I101H-N 129.38 9.42 D102H-N 128.84 9.44 G103H-N 102.4 8.57 V104H-N 122.71 7.7 I105H-N 125.21 7.99 Y106H-N 126.29 9.01 F107H-N 121.16 8.82 F108H-N 123.47 7.99 G109H-N 106.5 8.54 V110H-N 119.87 8.98 D111H-N 117.3 8.24 G112H-N 106.25 7.92 V113H-N 118.84 7.17 K114H-N 133.5 9.21 A115H-N 133.0 8.69